{"id":"W2027192671","doi":"10.1002/mrc.1832","title":"Accurate prediction of protein torsion angles using chemical shifts and sequence homology","year":2006,"lang":"en","type":"article","venue":"Magnetic Resonance in Chemistry","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":47,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology; University of Alberta","funders":"","keywords":"Chemistry; Torsion (gastropod); Homology (biology); Sequence (biology); Crystallography; Computational biology; Biochemistry; Amino acid; Anatomy","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001445396,0.001573458,0.001241901,0.001363221,0.0005702032,0.0006860737,0.0009373575,0.000590133,0.002840249],"category_scores_gemma":[0.003822099,0.0006605349,0.0008113752,0.001332907,0.0003282077,0.001203007,0.0005788868,0.0009563012,0.002080446],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004206881,"about_ca_system_score_gemma":0.0010938,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002255465,"about_ca_topic_score_gemma":0.002626319,"domain_scores_codex":[0.9993572,0.000172066,0.00004670902,0.0001792494,0.0001931677,0.00005167023],"domain_scores_gemma":[0.9988112,0.0006114082,0.0001755678,0.0001283009,0.000202929,0.00007055388],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001323789,0.0003649248,0.06701837,0.0008571408,0.0003005582,0.0006884362,0.0004360365,0.2063532,0.2397543,0.005716725,0.0174735,0.4597129],"study_design_scores_gemma":[0.00006223038,0.0001816358,0.01093148,0.00005548604,0.00005852842,0.0002509526,0.0001126814,0.9094276,0.06713919,0.003704775,0.008006447,0.00006900307],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2731645,0.0007022535,0.6960251,0.0001669935,0.00005575841,0.0001328021,0.005185045,0.02177668,0.002790788],"genre_scores_gemma":[0.3915059,0.001064767,0.5822642,0.00006424384,0.00003424567,0.0002351971,0.02085405,0.002078112,0.001899284],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.002840249,"threshold_uncertainty_score":0.009501576,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01479818494405411,"score_gpt":0.2311699908716295,"score_spread":0.2163718059275754,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}